N-[4-(phenylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-(phenylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-(benzenesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-(benzenesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(benzenesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(benzenesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C21H20N2O6S2/c24-30(25,18-5-2-1-3-6-18)22-16-7-9-17(10-8-16)23-31(26,27)19-11-12-20-21(15-19)29-14-4-13-28-20/h1-3,5-12,15,22-23H,4,13-14H2